2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H33N3O3 — CID 3953868

IUPAC2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)COCc1ccccc1
InChIInChI=1S/C24H33N3O3/c1-3-4-15-26(24(29)19-30-18-20-9-6-5-7-10-20)17-23(28)27(21-12-13-21)16-22-11-8-14-25(22)2/h5-11,14,21H,3-4,12-13,15-19H2,1-2H3
InChIKeyLKCSMZQBRATRIH-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.36
Rot. Bonds12

About 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3953868) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3953868
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)COCc1ccccc1
InChIInChI=1S/C24H33N3O3/c1-3-4-15-26(24(29)19-30-18-20-9-6-5-7-10-20)17-23(28)27(21-12-13-21)16-22-11-8-14-25(22)2/h5-11,14,21H,3-4,12-13,15-19H2,1-2H3
InChIKeyLKCSMZQBRATRIH-UHFFFAOYSA-N
XLogP3.36
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767861
N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
CID 7237066
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 3473022
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345
2-[benzylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3906670
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 42767816
2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4003243
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
N-benzyl-2-[butyl-(2-phenylmethoxyacetyl)amino]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3638682
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3953868) is 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)COCc1ccccc1.
What is the InChIKey of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is LKCSMZQBRATRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-4-15-26(24(29)19-30-18-20-9-6-5-7-10-20)17-23(28)27(21-12-13-21)16-22-11-8-14-25(22)2/h5-11,14,21H,3-4,12-13,15-19H2,1-2H3.
What are the key properties of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.36, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3953868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).